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	hartrees
Energy at 0K	-117.003664
Energy at 298.15K	-117.007659
HF Energy	-116.472791
Nuclear repulsion energy	64.154813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3240	3132
2	A'	3127	3024
3	A'	3039	2938
4	A'	3029	2929
5	A'	1673	1618
6	A'	1502	1452
7	A'	1406	1359
8	A'	1269	1227
9	A'	1121	1084
10	A'	936	904
11	A'	795	769
12	A'	411	397
13	A"	3091	2989
14	A"	1496	1447
15	A"	1065	1030
16	A"	798	771
17	A"	620	600
18	A"	210	203

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.449	0.000
C2	1.312	0.330	0.000
C3	-0.982	-0.696	0.000
H4	-0.430	1.457	0.000
H5	2.165	0.993	0.000
H6	-0.462	-1.655	0.000
H7	-1.627	-0.648	0.882
H8	-1.627	-0.648	-0.882

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3175	1.5085	1.0953	2.2322	2.1543	2.1514	2.1514
C2	1.3175		2.5130	2.0747	1.0802	2.6622	3.2206	3.2206
C3	1.5085	2.5130		2.2221	3.5715	1.0907	1.0936	1.0936
H4	1.0953	2.0747	2.2221		2.6361	3.1116	2.5768	2.5768
H5	2.2322	1.0802	3.5715	2.6361		3.7300	4.2248	4.2248
H6	2.1543	2.6622	1.0907	3.1116	3.7300		1.7742	1.7742
H7	2.1514	3.2206	1.0936	2.5768	4.2248	1.7742		1.7637
H8	2.1514	3.2206	1.0936	2.5768	4.2248	1.7742	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.942	C1	C3	H6	110.930
C1	C3	H7	110.528	C1	C3	H8	110.528
C2	C1	C3	125.414	C2	C1	H4	118.315
C3	C1	H4	116.271	H6	C3	H7	108.634
H6	C3	H8	108.634	H7	C3	H8	107.489

All results from a given calculation for CH₃CHCH (1-propenyl radical)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHCH (1-propenyl radical)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHCH (1-propenyl radical)